(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazin-4-one

C19H20N4O3 — CID 46214983

IUPAC(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazin-4-one
SMILESCOc1cc(/C=C2\CCCN3C(=O)CON=C23)ccc1-n1cnc(C)c1
InChIInChI=1S/C19H20N4O3/c1-13-10-22(12-20-13)16-6-5-14(9-17(16)25-2)8-15-4-3-7-23-18(24)11-26-21-19(15)23/h5-6,8-10,12H,3-4,7,11H2,1-2H3/b15-8+
InChIKeyOUGPFPUBTIPZKQ-OVCLIPMQSA-N
MW352.39 g/mol
LogP2.54
Rot. Bonds3

About (9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazin-4-one

(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazin-4-one (PubChem CID 46214983) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is (9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazin-4-one.

Molecular Properties

Compound Name(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazin-4-one
PubChem CID46214983
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazin-4-one
SMILESCOc1cc(/C=C2\CCCN3C(=O)CON=C23)ccc1-n1cnc(C)c1
InChIInChI=1S/C19H20N4O3/c1-13-10-22(12-20-13)16-6-5-14(9-17(16)25-2)8-15-4-3-7-23-18(24)11-26-21-19(15)23/h5-6,8-10,12H,3-4,7,11H2,1-2H3/b15-8+
InChIKeyOUGPFPUBTIPZKQ-OVCLIPMQSA-N
XLogP2.54
TPSA68.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazin-4-one?
The IUPAC name of (9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazin-4-one (CID 46214983) is (9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazin-4-one.
What is the SMILES notation for (9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazin-4-one?
The canonical SMILES for (9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazin-4-one is COc1cc(/C=C2\CCCN3C(=O)CON=C23)ccc1-n1cnc(C)c1.
What is the InChIKey of (9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazin-4-one?
The InChIKey is OUGPFPUBTIPZKQ-OVCLIPMQSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-10-22(12-20-13)16-6-5-14(9-17(16)25-2)8-15-4-3-7-23-18(24)11-26-21-19(15)23/h5-6,8-10,12H,3-4,7,11H2,1-2H3/b15-8+.
What are the key properties of (9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazin-4-one?
(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazin-4-one has a molecular weight of 352.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazin-4-one is sourced from PubChem (CID 46214983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).